Ask for extracting one particle reduced density matrix from results files

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:
: Hello, I want to know how to extracte one- and two- reduced density matrix from results files, after accomplishing DMRG-SCF. I used "python oneptdm_su2.py xxx.results.h5" to get one- rdm successfully, but failed to get two- rdm using "python : twoptrdm.py xxx.result.h5". Could you give me some advice? : Thanks